| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 9th, 2010 | 20 | Yes |
Popular Name: N-[[4-[(4-ethylpiperazin-1-yl)methyl]thiazol-2-yl]methyl]-2-methyl-propan-2-amine N-[[4-[(4-ethylpiperazin-1-yl)me…
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 1.66 | 5.62 | -81.47 | 3 | 4 | 2 | 37 | 298.5 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.66 | 2.12 | -3.63 | 1 | 4 | 0 | 31 | 296.484 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.66 | 3.37 | -34.57 | 2 | 4 | 1 | 36 | 297.492 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.66 | 5.65 | -86.92 | 3 | 4 | 2 | 37 | 298.5 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
